Geometry & MOs

Info

ID:	306175
PubChem CID:	125002198
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	8.44
IP(EA), eV:	-8.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-1-[4-(dimethylamino)phenyl]-3-hydroxypropan-2-yl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C[C@@H](CO)N2C=C(C=CC2=O)C(=O)O

DOS

IR

Vibrations